3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

C26H27N3O5 — CID 42840739

About 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide

3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 42840739) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42840739
• Molecular Formula: C26H27N3O5
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.20
• IUPAC Name: 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
• SMILES: CCCC(=O)Nc1ccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)NCc2ccco2)cc1
• InChI: InChI=1S/C26H27N3O5/c1-2-7-22(30)28-20-13-11-19(12-14-20)24-23(25(31)27-16-21-10-6-15-33-21)29(26(32)34-24)17-18-8-4-3-5-9-18/h3-6,8-15,23-24H,2,7,16-17H2,1H3,(H,27,31)(H,28,30)
• InChIKey: HYXSJPXMZXHKKD-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide (CID 42840739) is 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is CCCC(=O)Nc1ccc(C2OC(=O)N(Cc3ccccc3)C2C(=O)NCc2ccco2)cc1.

What is the InChIKey of 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

The InChIKey is HYXSJPXMZXHKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-2-7-22(30)28-20-13-11-19(12-14-20)24-23(25(31)27-16-21-10-6-15-33-21)29(26(32)34-24)17-18-8-4-3-5-9-18/h3-6,8-15,23-24H,2,7,16-17H2,1H3,(H,27,31)(H,28,30).

What are the key properties of 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide?

3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-5-[4-(butanoylamino)phenyl]-N-(furan-2-ylmethyl)-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).